ATOM 50
1 C1c C 26.8409 -19.0337
2 C1b C 26.8481 -20.4290
3 C1b C 28.0554 -18.3398
4 N1b N 25.6337 -18.3470
5 C8y C 27.8313 -21.4194
6 C1c C 29.2625 -19.0266
7 C5a C 24.4264 -19.0411
8 C8x C 27.1230 -22.6193
9 C8x C 29.2193 -21.4265
10 C1c C 30.4626 -18.3327
11 O1a O 29.2698 -20.4217
12 C1c C 23.2194 -18.3542
13 O5a O 24.4264 -20.4362
14 C8x C 27.8169 -23.8264
15 C8x C 29.9132 -22.6337
16 C1b C 30.4626 -16.9302
17 N1b N 31.6697 -19.0192
18 N1b N 22.0050 -19.0482
19 C1c C 23.2120 -16.6729
20 C8x C 29.2048 -23.8337
21 C8y C 29.2480 -16.2291
22 C7a C 32.8840 -18.3254
23 C5a C 20.7976 -18.3614
24 C1a C 24.4264 -15.9716
25 C1a C 21.9976 -15.9716
26 C8x C 29.2480 -14.8339
27 C8x C 28.0481 -16.9374
28 O7a O 34.0914 -19.0122
29 O6a O 32.8767 -16.9229
30 N1c N 19.5978 -19.0555
31 O5a O 20.7976 -16.9592
32 C8x C 28.0409 -14.1400
33 C8x C 26.8337 -16.2361
34 C1b C 35.2986 -18.3183
35 C1b C 18.3904 -18.3688
36 C1a C 19.5978 -20.4506
37 C8x C 26.8337 -14.8410
38 C8y C 36.5057 -19.0048
39 C8y C 17.1760 -19.0627
40 C8x C 36.4986 -20.4001
41 S2x S 37.8359 -18.5855
42 N5x N 15.8315 -18.7012
43 C8x C 17.1783 -20.4577
44 N5x N 37.8214 -20.8338
45 C8x C 38.6454 -19.7133
46 C8y C 15.0581 -19.8722
47 S2x S 15.9400 -20.9567
48 C1c C 13.6630 -19.8677
49 C1a C 12.9111 -18.6965
50 C1a C 13.0267 -21.1182
BOND 53
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 5 8 2
8 5 9 1
9 6 10 1
10 6 11 1 #Up
11 7 12 1
12 7 13 2
13 8 14 1
14 9 15 2
15 10 16 1 #Down
16 10 17 1
17 12 18 1
18 12 19 1 #Up
19 14 20 2
20 16 21 1
21 17 22 1
22 18 23 1
23 19 24 1
24 19 25 1
25 21 26 2
26 21 27 1
27 22 28 1
28 22 29 2
29 23 30 1
30 23 31 2
31 26 32 1
32 27 33 2
33 28 34 1
34 30 35 1
35 30 36 1
36 32 37 2
37 34 38 1
38 35 39 1
39 38 40 2
40 38 41 1
41 39 42 1
42 39 43 2
43 40 44 1
44 41 45 1
45 42 46 2
46 43 47 1
47 46 48 1
48 48 49 1
49 48 50 1
50 15 20 1
51 33 37 1
52 44 45 2
53 46 47 1
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